Preparation and Electrochemical Performance of Zinc-Doped Copper Fluoride

To enhance the specific energy and rate performance of lithium primary batteries, the development of advanced cathode materials with superior electrochemical properties is essential. Fluorides, composed of light fluorine elements and multivalent cations, exhibit multi-electron reaction characteristics, possess a high theoretical voltage, and demonstrate high discharge-specific energy. However, owing to fluorine’s high electronegativity, which leads to the formation of strong ionic bonds with other elements, most fluorides exhibit poor electronic conductivity, thereby constraining their electrochemical performance when used as cathode materials. Copper fluoride (CuF 2 ) exhibits a high theoretical specific capacity and discharge voltage but is constrained by its large bandgap, poor electronic conductivity, and difficulties in synthesizing anhydrous CuF 2 materials, which significantly limit its electrochemical activity. In this study, zinc (Zn) was chosen as a dopant for copper fluoride. By combining theoretical calculations with experimental validation, the impacts of Zn doping on the structural stability and electrochemical performance of copper fluoride were comprehensively analyzed. The resultant highly active Zn-doped copper fluoride achieved a discharge specific capacity of 528.6 mAh/g at 0.1 C and 489.1 mAh/g at 1 C, showcasing superior discharge-specific energy and good rate performance. This material holds great potential as a promising cathode candidate for lithium batteries, providing both high specific energy and power density.